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

Systemtic Name: 3-[[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methoxy]-2-(methylamino)propanoic acid Openeye Name: 3-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methoxy]-2-(methylamino)propanoic acid CAS Name: 3-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinyl]methoxy]-2-(methylamino)propanoic acid IUPAC Name: 3-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]methoxy]-2-(methylamino)propanoic acid Traditional Name: 3-[[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazino]methoxy]-2-(methylamino)propionic acid Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CNC(COCN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CNC(COCN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)O

InChI

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