1-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f]chromen-3-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f]chromen-3-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f]chromen-3-yl]urea CAS Name: 1-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f][1]benzopyran-3-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f]chromen-3-yl]urea Traditional Name: 1-benzyl-3-[2-cyano-1-(3-methoxyphenyl)-1H-benzo[f]chromen-3-yl]urea Formula: C29H23N3O3 MolecularWeight: 461.51122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)NC(=O)NCC5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)NC(=O)NCC5=CC=CC=C5)C#N

InChI

InChI=1S/C29H23N3O3/c1-34-22-12-7-11-21(16-22)26-24(17-30)28(32-29(33)31-18-19-8-3-2-4-9-19)35-25-15-14-20-10-5-6-13-23(20)27(25)26/h2-16,26H,18H2,1H3,(H2,31,32,33)