6-chloranyl-4-[(3-phenylphenyl)methyl-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-chloranyl-4-[(3-phenylphenyl)methyl-piperidin-4-yl-amino]chromen-2-one Openeye Name: 6-chloro-4-[(3-phenylphenyl)methyl-(4-piperidyl)amino]chromen-2-one CAS Name: 6-chloro-4-[(3-phenylphenyl)methyl-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(3-phenylphenyl)methyl-piperidin-4-ylamino]chromen-2-one Traditional Name: 6-chloro-4-[(3-phenylbenzyl)-(4-piperidyl)amino]coumarin Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC(=O)OC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC(=O)OC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN2O2/c28-22-9-10-26-24(16-22)25(17-27(31)32-26)30(23-11-13-29-14-12-23)18-19-5-4-8-21(15-19)20-6-2-1-3-7-20/h1-10,15-17,23,29H,11-14,18H2