[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]-phenyl-methanone Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H25NO4/c29-26(19-6-2-1-3-7-19)20-9-11-21(12-10-20)27(30)28-15-4-8-23(28)22-13-14-24-25(18-22)32-17-5-16-31-24/h1-3,6-7,9-14,18,23H,4-5,8,15-17H2/t23-/m0/s1