piperidin-1-yl-[(2R)-4-(4-pyrrol-1-ylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone

Systemtic Name: piperidin-1-yl-[(2R)-4-(4-pyrrol-1-ylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Openeye Name: 1-piperidyl-[(2R)-4-(4-pyrrol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone CAS Name: [(2R)-4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidinyl)methanone IUPAC Name: piperidin-1-yl-[(2R)-4-(4-pyrrol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Traditional Name: piperidino-[(2R)-4-(4-pyrrol-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C25H25N3O3/c29-24(19-10-12-20(13-11-19)26-14-6-7-15-26)28-18-23(25(30)27-16-4-1-5-17-27)31-22-9-3-2-8-21(22)28/h2-3,6-15,23H,1,4-5,16-18H2/t23-/m1/s1