2-(ethylamino)-2-thiophen-2-yl-cyclohexan-1-one; (4Z)-1,3,8-trimethyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one

Systemtic Name: 2-(ethylamino)-2-thiophen-2-yl-cyclohexan-1-one; (4Z)-1,3,8-trimethyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one Openeye Name: 2-(ethylamino)-2-(2-thienyl)cyclohexanone; (4Z)-1,3,8-trimethyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one CAS Name: 2-(ethylamino)-2-thiophen-2-yl-1-cyclohexanone; (4Z)-1,3,8-trimethyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one IUPAC Name: 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one; (4Z)-1,3,8-trimethyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one Traditional Name: 2-(ethylamino)-2-(2-thienyl)cyclohexanone; (4Z)-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,3,8-trimethyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(CCCCC1=O)C2=CC=CS2.CC1=NN(C2=C1C(=C3C=CC=CC3=O)NCC(=O)N2C)C

Isomeric SMILES

CCNC1(CCCCC1=O)C2=CC=CS2.CC1=NN(C2=C1/C(=C/3\C=CC=CC3=O)/NCC(=O)N2C)C

InChI

InChI=1S/C15H16N4O2.C12H17NOS/c1-9-13-14(10-6-4-5-7-11(10)20)16-8-12(21)18(2)15(13)19(3)17-9;1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h4-7,16H,8H2,1-3H3;5,7,9,13H,2-4,6,8H2,1H3/b14-10-;