1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Openeye Name: 1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-(4-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane IUPAC Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-(4-pyridylmethyl)-1,4-diazepane Formula: C24H33N3O2 MolecularWeight: 395.53772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C24H33N3O2/c1-28-23-8-7-21(17-24(23)29-22-5-2-3-6-22)19-27-14-4-13-26(15-16-27)18-20-9-11-25-12-10-20/h7-12,17,22H,2-6,13-16,18-19H2,1H3