N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide

Systemtic Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide Openeye Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-benzamide CAS Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide IUPAC Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-methylbenzamide Traditional Name: N-[6-[4-(2,4-dimethoxybenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H32N4O3/c1-20-7-4-5-8-24(20)27(32)29-22-10-12-26(28-18-22)31-14-6-13-30(15-16-31)19-21-9-11-23(33-2)17-25(21)34-3/h4-5,7-12,17-18H,6,13-16,19H2,1-3H3,(H,29,32)