N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3,4-dimethoxy-benzamide CAS Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-[4-[4-(dimethylamino)benzyl]-1,4-diazepan-1-yl]-3-pyridyl]-3,4-dimethoxy-benzamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H35N5O3/c1-31(2)24-10-6-21(7-11-24)20-32-14-5-15-33(17-16-32)27-13-9-23(19-29-27)30-28(34)22-8-12-25(35-3)26(18-22)36-4/h6-13,18-19H,5,14-17,20H2,1-4H3,(H,30,34)