4-[1-[(6-azanylpyridin-2-yl)methyl]-5-phenyl-pyrrol-2-yl]-N-butyl-benzamide

Systemtic Name: 4-[1-[(6-azanylpyridin-2-yl)methyl]-5-phenyl-pyrrol-2-yl]-N-butyl-benzamide Openeye Name: 4-[1-[(6-amino-2-pyridyl)methyl]-5-phenyl-pyrrol-2-yl]-N-butyl-benzamide CAS Name: 4-[1-[(6-amino-2-pyridinyl)methyl]-5-phenyl-2-pyrrolyl]-N-butylbenzamide IUPAC Name: 4-[1-[(6-aminopyridin-2-yl)methyl]-5-phenylpyrrol-2-yl]-N-butylbenzamide Traditional Name: 4-[1-[(6-amino-2-pyridyl)methyl]-5-phenyl-pyrrol-2-yl]-N-butyl-benzamide Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-2-3-18-29-27(32)22-14-12-21(13-15-22)25-17-16-24(20-8-5-4-6-9-20)31(25)19-23-10-7-11-26(28)30-23/h4-17H,2-3,18-19H2,1H3,(H2,28,30)(H,29,32)