N-[[4-(aminomethyl)phenyl]methyl]-3-(3-cyclopentylpropanoylamino)-4-(piperidin-1-ylmethyl)benzamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-3-(3-cyclopentylpropanoylamino)-4-(piperidin-1-ylmethyl)benzamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-3-(3-cyclopentylpropanoylamino)-4-(1-piperidylmethyl)benzamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-cyclopentyl-1-oxopropyl)amino]-4-(1-piperidinylmethyl)benzamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-3-(3-cyclopentylpropanoylamino)-4-(piperidin-1-ylmethyl)benzamide Traditional Name: N-[4-(aminomethyl)benzyl]-3-(3-cyclopentylpropanoylamino)-4-(piperidinomethyl)benzamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CCC4CCCC4

Isomeric SMILES

C1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CCC4CCCC4

InChI

InChI=1S/C29H40N4O2/c30-19-23-8-10-24(11-9-23)20-31-29(35)25-13-14-26(21-33-16-4-1-5-17-33)27(18-25)32-28(34)15-12-22-6-2-3-7-22/h8-11,13-14,18,22H,1-7,12,15-17,19-21,30H2,(H,31,35)(H,32,34)