3-tert-butyl-1-ethyl-5-(4-pyrrolidin-1-ylphenyl)-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one

Systemtic Name: 3-tert-butyl-1-ethyl-5-(4-pyrrolidin-1-ylphenyl)-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Openeye Name: 3-tert-butyl-1-ethyl-5-(4-pyrrolidin-1-ylphenyl)-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one CAS Name: 3-tert-butyl-1-ethyl-5-[4-(1-pyrrolidinyl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one IUPAC Name: 3-tert-butyl-1-ethyl-5-(4-pyrrolidin-1-ylphenyl)-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Traditional Name: 3-tert-butyl-1-ethyl-5-(4-pyrrolidinophenyl)-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H29N5O/c1-5-27-19-18(20(25-27)22(2,3)4)24-17(14-23-21(19)28)15-8-10-16(11-9-15)26-12-6-7-13-26/h8-11H,5-7,12-14H2,1-4H3,(H,23,28)