N-[4-(azepan-1-yl)phenyl]-2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H31N3O/c1-16(2)25-17(3)15-21(18(25)4)22(26)23-19-9-11-20(12-10-19)24-13-7-5-6-8-14-24/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,26)