7-chloranyl-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine; 2-propan-2-yl-4-propan-2-ylidene-cyclohex-2-en-1-ol

Systemtic Name: 7-chloranyl-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine; 2-propan-2-yl-4-propan-2-ylidene-cyclohex-2-en-1-ol Openeye Name: 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine; 2-isopropyl-4-isopropylidene-cyclohex-2-en-1-ol CAS Name: 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine; 2-propan-2-yl-4-propan-2-ylidene-1-cyclohex-2-enol IUPAC Name: 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine; 2-propan-2-yl-4-propan-2-ylidenecyclohex-2-en-1-ol Traditional Name: [7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-yl]-methyl-amine; 2-isopropyl-4-isopropylidene-cyclohex-2-en-1-ol Formula: C26H33ClN4O MolecularWeight: 453.01942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C)C)CCC1O.CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

Isomeric SMILES

CC(C)C1=CC(=C(C)C)CCC1O.CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

InChI

InChI=1S/C14H13ClN4.C12H20O/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13;1-8(2)10-5-6-12(13)11(7-10)9(3)4/h2-7,17H,8H2,1H3,(H,16,19);7,9,12-13H,5-6H2,1-4H3