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

Systemtic Name: 1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-(3-thenyl)-1,4-diazepane Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3)OC4CCCC4

InChI

InChI=1S/C23H32N2O2S/c1-26-22-8-7-19(15-23(22)27-21-5-2-3-6-21)16-24-10-4-11-25(13-12-24)17-20-9-14-28-18-20/h7-9,14-15,18,21H,2-6,10-13,16-17H2,1H3