N-[4-(aminomethyl)phenyl]-4-[[4-(aminomethyl)phenyl]carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-4-[[4-(aminomethyl)phenyl]carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxamide Openeye Name: 4-[[4-(aminomethyl)benzoyl]amino]-N-[4-(aminomethyl)phenyl]-1-benzyl-pyrrole-2-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-4-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolecarboxamide IUPAC Name: 4-[[4-(aminomethyl)benzoyl]amino]-N-[4-(aminomethyl)phenyl]-1-benzylpyrrole-2-carboxamide Traditional Name: 4-[[4-(aminomethyl)benzoyl]amino]-N-[4-(aminomethyl)phenyl]-1-benzyl-pyrrole-2-carboxamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C2C(=O)NC3=CC=C(C=C3)CN)NC(=O)C4=CC=C(C=C4)CN

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C2C(=O)NC3=CC=C(C=C3)CN)NC(=O)C4=CC=C(C=C4)CN

InChI

InChI=1S/C27H27N5O2/c28-15-19-6-10-22(11-7-19)26(33)31-24-14-25(32(18-24)17-21-4-2-1-3-5-21)27(34)30-23-12-8-20(16-29)9-13-23/h1-14,18H,15-17,28-29H2,(H,30,34)(H,31,33)