(4-methoxyphenyl)-[(3S,4S)-3-oxidanyl-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[(3S,4S)-3-oxidanyl-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]methanone Openeye Name: [(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)-1-pyrrolidinyl]-(4-methoxyphenyl)methanone IUPAC Name: [(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidino]-(4-methoxyphenyl)methanone Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC(C(C2)O)N3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C[C@@H]([C@H](C2)O)N3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-29-20-10-8-18(9-11-20)23(28)26-16-21(22(27)17-26)25-13-5-12-24(14-15-25)19-6-3-2-4-7-19/h2-4,6-11,21-22,27H,5,12-17H2,1H3/t21-,22-/m0/s1