N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-(2-phenylethanoylamino)benzamide Openeye Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-[[4-(aminomethyl)phenyl]methyl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-N-[[4-(aminomethyl)phenyl]methyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: 4-[(4-acetylpiperazin-1-yl)methyl]-N-[[4-(aminomethyl)phenyl]methyl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: 4-[(4-acetylpiperazino)methyl]-N-[4-(aminomethyl)benzyl]-3-[(2-phenylacetyl)amino]benzamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N5O3/c1-22(36)35-15-13-34(14-16-35)21-27-12-11-26(30(38)32-20-25-9-7-24(19-31)8-10-25)18-28(27)33-29(37)17-23-5-3-2-4-6-23/h2-12,18H,13-17,19-21,31H2,1H3,(H,32,38)(H,33,37)