N-(4-methoxy-2-methyl-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxy-2-methylphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H26N4O2/c1-16-14-18(26-2)4-5-19(16)22-20(25)24-11-3-10-23(12-13-24)15-17-6-8-21-9-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25)