6-(anthracen-9-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile

Systemtic Name: 6-(anthracen-9-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 6-(9-anthrylmethylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile CAS Name: 6-(9-anthracenylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 6-(anthracen-9-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 6-(9-anthrylmethylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-hex-4-ynenitrile Formula: C32H32N2O2 MolecularWeight: 476.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCNCC1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CC#CCNCC1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H32N2O2/c1-23(2)32(22-33,26-15-16-30(35-3)31(20-26)36-4)17-9-10-18-34-21-29-27-13-7-5-11-24(27)19-25-12-6-8-14-28(25)29/h5-8,11-16,19-20,23,34H,17-18,21H2,1-4H3