N-[[4-(aminomethyl)phenyl]methyl]-3-(2-phenylethanoylamino)-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-3-(2-phenylethanoylamino)-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(2-phenylacetyl)amino]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(1-oxo-2-phenylethyl)amino]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(2-phenylacetyl)amino]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[4-(aminomethyl)benzyl]-3-[(2-phenylacetyl)amino]-4-(pyrrolidinomethyl)benzamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2/c29-18-22-8-10-23(11-9-22)19-30-28(34)24-12-13-25(20-32-14-4-5-15-32)26(17-24)31-27(33)16-21-6-2-1-3-7-21/h1-3,6-13,17H,4-5,14-16,18-20,29H2,(H,30,34)(H,31,33)