2-[(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]-N,N-diethyl-ethanamine

Systemtic Name: 2-[(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]-N,N-diethyl-ethanamine Openeye Name: 2-[(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]-N,N-diethyl-ethanamine CAS Name: 2-[(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]-N,N-diethylethanamine IUPAC Name: 2-[(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]-N,N-diethylethanamine Traditional Name: 2-[(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)amino]ethyl-diethyl-amine Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)CCN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25ClN4O/c1-3-25(4-2)13-12-23-20-15-26(27)21(16-8-6-5-7-9-16)18-14-17(22)10-11-19(18)24-20/h5-11,14,27H,3-4,12-13,15H2,1-2H3