2-azanyl-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanoyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanoyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 2-amino-5-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]acetyl]-3-chloro-benzonitrile CAS Name: 2-amino-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxoethyl]-3-chlorobenzonitrile IUPAC Name: 2-amino-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]acetyl]-3-chlorobenzonitrile Traditional Name: 2-amino-5-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]acetyl]-3-chloro-benzonitrile Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)NCC(=O)C3=CC(=C(C(=C3)C#N)N)Cl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)NCC(=O)C3=CC(=C(C(=C3)C#N)N)Cl

InChI

InChI=1S/C19H18ClN3O3/c1-11(4-12-2-3-17-18(5-12)26-10-25-17)23-9-16(24)13-6-14(8-21)19(22)15(20)7-13/h2-3,5-7,11,23H,4,9-10,22H2,1H3