6-[(3-methoxyphenyl)methoxy]-4-(4-pyrazol-1-ylbutan-2-yl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-(4-pyrazol-1-ylbutan-2-yl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-4-(1-methyl-3-pyrazol-1-yl-propyl)-1-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[4-(1-pyrazolyl)butan-2-yl]-1-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-4-(4-pyrazol-1-ylbutan-2-yl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-(1-methyl-3-pyrazol-1-yl-propyl)-1-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)N2CC(CN(C(=O)C2)CC3=CC=CC=N3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(CCN1C=CC=N1)N2CC(CN(C(=O)C2)CC3=CC=CC=N3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H33N5O3/c1-21(10-14-31-13-6-12-28-31)29-17-25(34-20-22-7-5-9-24(15-22)33-2)18-30(26(32)19-29)16-23-8-3-4-11-27-23/h3-9,11-13,15,21,25H,10,14,16-20H2,1-2H3