ethyl 3-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]-2-(methylamino)propanoate

Systemtic Name: ethyl 3-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]-2-(methylamino)propanoate Openeye Name: ethyl 3-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]-2-(methylamino)propanoate CAS Name: 3-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinyl]-2-(methylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]-2-(methylamino)propanoate Traditional Name: 3-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazino]-2-(methylamino)propionic acid ethyl ester Formula: C23H28ClN5O2 MolecularWeight: 441.95372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC

Isomeric SMILES

CCOC(=O)C(CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC

InChI

InChI=1S/C23H28ClN5O2/c1-3-31-23(30)21(25-2)15-28-10-12-29(13-11-28)22-17-6-4-5-7-18(17)26-19-9-8-16(24)14-20(19)27-22/h4-9,14,21,25,27H,3,10-13,15H2,1-2H3