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

Systemtic Name: methyl 2-azanyl-2-[[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methyl]-3-oxidanyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O3/c1-31-21(30)22(24,14-29)13-27-8-10-28(11-9-27)20-16-4-2-3-5-17(16)25-18-7-6-15(23)12-19(18)26-20/h2-7,12,26,29H,8-11,13-14,24H2,1H3