(3S)-N-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[(Z)-2-chloro-3-phenyl-allyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [(Z)-2-chloro-3-phenyl-allyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C18H21ClN4 MolecularWeight: 328.83914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NCC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)NC/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C18H21ClN4/c19-16(12-15-6-2-1-3-7-15)13-22-17-8-4-11-23(14-17)18-20-9-5-10-21-18/h1-3,5-7,9-10,12,17,22H,4,8,11,13-14H2/b16-12-/t17-/m0/s1