(2-ethoxynaphthalen-1-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-ethoxynaphthalen-1-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-ethoxy-1-naphthyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-ethoxy-1-naphthalenyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-ethoxynaphthalen-1-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-ethoxy-1-naphthyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-2-29-22-11-10-20-8-3-4-9-21(20)23(22)24(28)27-14-6-13-26(15-16-27)18-19-7-5-12-25-17-19/h3-5,7-12,17H,2,6,13-16,18H2,1H3