N-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(3-carbamimidoylphenoxy)-3-phenyl-propan-2-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-benzyl-2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(3-carbamimidoylphenoxy)-3-phenylpropan-2-yl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-[(3-amidinophenoxy)methyl]-2-phenyl-ethyl]-4-pyrrolidino-benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)COC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)COC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H30N4O2/c28-26(29)22-9-6-10-25(18-22)33-19-23(17-20-7-2-1-3-8-20)30-27(32)21-11-13-24(14-12-21)31-15-4-5-16-31/h1-3,6-14,18,23H,4-5,15-17,19H2,(H3,28,29)(H,30,32)