[3-cyclopentyl-8-[(phenylmethyl)amino]-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenyl-methanone

Systemtic Name: [3-cyclopentyl-8-[(phenylmethyl)amino]-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenyl-methanone Openeye Name: [8-(benzylamino)-3-cyclopentyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenyl-methanone CAS Name: [3-cyclopentyl-8-[(phenylmethyl)amino]-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenylmethanone IUPAC Name: [8-(benzylamino)-3-cyclopentyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenylmethanone Traditional Name: [8-(benzylamino)-3-cyclopentyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl]-phenyl-methanone Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2COC3=C(C=CC(=C3N2)C(=O)C4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2COC3=C(C=CC(=C3N2)C(=O)C4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O2/c30-26(21-13-5-2-6-14-21)22-15-16-23(28-17-19-9-3-1-4-10-19)27-25(22)29-24(18-31-27)20-11-7-8-12-20/h1-6,9-10,13-16,20,24,28-29H,7-8,11-12,17-18H2