N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(4-indan-2-yloxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-(4-indan-2-yloxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]-4-pyrazol-1-yl-benzamide Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OC3CC4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OC3CC4=CC=CC=C4C3)C(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C32H32N4O3/c37-31-30(8-3-4-17-33-31)35(32(38)24-11-13-27(14-12-24)36-19-5-18-34-36)22-23-9-15-28(16-10-23)39-29-20-25-6-1-2-7-26(25)21-29/h1-2,5-7,9-16,18-19,29-30H,3-4,8,17,20-22H2,(H,33,37)/t30-/m0/s1