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

Systemtic Name: ethyl 2-azanyl-2-[[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methyl]-3-oxidanyl-propanoate Openeye Name: ethyl 2-amino-2-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methyl]-3-hydroxy-propanoate CAS Name: 2-amino-2-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinyl]methyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-amino-2-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methyl]-3-hydroxypropanoate Traditional Name: 2-amino-2-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazino]methyl]-3-hydroxy-propionic acid ethyl ester Formula: C23H28ClN5O3 MolecularWeight: 457.95312

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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)(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN5O3/c1-2-32-22(31)23(25,15-30)14-28-9-11-29(12-10-28)21-17-5-3-4-6-18(17)26-19-8-7-16(24)13-20(19)27-21/h3-8,13,27,30H,2,9-12,14-15,25H2,1H3