(Z)-5-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-(2-methylbutan-2-yl)pent-2-enal

Systemtic Name: (Z)-5-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-(2-methylbutan-2-yl)pent-2-enal Openeye Name: (Z)-5-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-(1,1-dimethylpropyl)pent-2-enal CAS Name: (Z)-5-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-(2-methylbutan-2-yl)-2-pentenal IUPAC Name: (Z)-5-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-(2-methylbutan-2-yl)pent-2-enal Traditional Name: (Z)-2-tert-amyl-5-[(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]pent-2-enal Formula: C26H30ClN3O2 MolecularWeight: 451.9883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=CCCNC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)C=O

Isomeric SMILES

CCC(C)(C)/C(=C/CCNC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)/C=O

InChI

InChI=1S/C26H30ClN3O2/c1-5-26(2,3)19(17-31)12-9-15-28-24-25(32)30(4)22-14-13-20(27)16-21(22)23(29-24)18-10-7-6-8-11-18/h6-8,10-14,16-17,24,28H,5,9,15H2,1-4H3/b19-12+