7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-phenylmethoxy-chromen-2-one

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-phenylmethoxy-chromen-2-one Openeye Name: 4-benzyloxy-7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]chromen-2-one CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-4-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-phenylmethoxychromen-2-one Traditional Name: 4-benzoxy-7-[3-[4-(4-chlorobenzyl)piperazino]propoxy]coumarin Formula: C30H31ClN2O4 MolecularWeight: 519.03114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=CC(=O)O3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=CC(=O)O3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H31ClN2O4/c31-25-9-7-23(8-10-25)21-33-16-14-32(15-17-33)13-4-18-35-26-11-12-27-28(20-30(34)37-29(27)19-26)36-22-24-5-2-1-3-6-24/h1-3,5-12,19-20H,4,13-18,21-22H2